SCHEMBL5221044

SCHEMBL5221044

BrCCOc1cccc2occc12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 4/20 0.65
CYP2A6 P11509 4/20 0.42
KCNA5 P22460 1/20 0.40
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
HTR2C P28335 5/20 0.35
HTR2A P28223 4/20 0.35
HTR2B P41595 3/20 0.35
FTO Q9C0B1 1/20 0.35
HTR1B P28222 2/20 0.35
CYP3A4 P08684 2/20 0.35
FADS1 O60427 1/20 0.33
TRPA1 O75762 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7695900 0.89 KCNA3 (0.68) KCNA3CYP2A6KCNA5MAOBMAOA
SCHEMBL3797704 0.83 KCNA3 (0.65) KCNA3CYP2A6KCNA5HTR2CHTR2A
SCHEMBL3794876 0.81 KCNA3 (0.68) KCNA3CYP2A6KCNA5HTR2CHTR2A
SCHEMBL11498084 0.80 KCNA3 (0.70) KCNA3CYP2A6KCNA5HTR2CHTR2A
SCHEMBL10921659 0.79 KCNA3 (0.60) KCNA3CYP2A6KCNA5MAOBMAOA
SCHEMBL827370 0.79 KCNA3 (0.59) KCNA3CYP2A6MAOBMAOAHTR2C
SCHEMBL10918965 0.76 KCNA3 (0.65) KCNA3CYP2A6KCNA5MAOB
SCHEMBL29679112 0.76 KCNA3 (0.56) KCNA3CYP2A6KCNA5MAOBMAOA
SCHEMBL28792214 0.76 KCNA3 (0.56) KCNA3CYP2A6KCNA5MAOBMAOA
SCHEMBL10922826 0.75 KCNA3 (0.68) KCNA3CYP2A6KCNA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 KCNA3 557/4885CYP2A6 3/4885KCNA5 280/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.